[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(phenoxymethyl)pyrazole-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(phenoxymethyl)pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 1-(phenoxymethyl)pyrazole-3-carboxylate CAS Name: 1-(phenoxymethyl)-3-pyrazolecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-(phenoxymethyl)pyrazole-3-carboxylate Traditional Name: 1-(phenoxymethyl)pyrazole-3-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=NN(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=NN(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-16-7-9-17(10-8-16)13-22-20(25)14-27-21(26)19-11-12-24(23-19)15-28-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,22,25)